Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive (MMDBc0003547)
Spectrum Details
| MiMe ID: | MMDBc0003547 |
|---|---|
| Compound Name: | 8α-hydroxy-α-ergokryptine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O[Si](C)(C)C)O[C@](N=C(O)[C@]3(O[Si](C)(C)C)C=C4C5=CC=CC6=C5C(=CN6[Si](C)(C)C)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C32H41N5O6 |
| Molecular Weight (Monoisotopic Mass): | 591.3057 Da |
| Derivative Type: | TMS_3_3 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References